2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

C10H10N4 — CID 10035337

IUPAC2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCN(C)c1[nH]c2cccnc2c1C#N
InChIInChI=1S/C10H10N4/c1-14(2)10-7(6-11)9-8(13-10)4-3-5-12-9/h3-5,13H,1-2H3
InChIKeyYXXSSFJVAKKUSO-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.50
Rot. Bonds1

About 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile (PubChem CID 10035337) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
PubChem CID10035337
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCN(C)c1[nH]c2cccnc2c1C#N
InChIInChI=1S/C10H10N4/c1-14(2)10-7(6-11)9-8(13-10)4-3-5-12-9/h3-5,13H,1-2H3
InChIKeyYXXSSFJVAKKUSO-UHFFFAOYSA-N
XLogP1.50
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H-pyrido[3,2-b]indole-7-carbonitrile
CID 91665984
2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 10334971
2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile
CID 15005423
4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019364
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166865983
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
CID 91536918
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile
CID 115146413
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
CID 1475658
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
ethane;3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159886415
4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019351
2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
CID 115146409

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile (CID 10035337) is 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile is CN(C)c1[nH]c2cccnc2c1C#N.
What is the InChIKey of 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The InChIKey is YXXSSFJVAKKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-14(2)10-7(6-11)9-8(13-10)4-3-5-12-9/h3-5,13H,1-2H3.
What are the key properties of 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10035337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).